Payload Information
General Information of This Payload (ID: PAY0RFMVZ)
| Name |
Conjugate No.105 Payload
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| Synonyms |
Conjugate No.105 Payload
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| Structure |
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| Formula | C66H87N11O18 |
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| Isosmiles | COCCOCCOCCOCCOCCOCCOCCOCCNC(COCC(NCCO[C@H]1[C@]2([H])CC(CN2C(C3=CC(OC)=C(OCCCC(NC4=CN(C)C(C(NC5=CC=C(C6=CN(C)C(C(N(C=C7)C8=C7C=C(N)C=C8)=O)=C6)C=C5)=O)=N4)=O)C=C3N1)=O)=C)=O)=O |
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| InChI |
InChI=1S/C66H87N11O18/c1-45-35-54-64(95-20-16-69-61(80)44-93-43-60(79)68-15-19-86-23-24-88-27-28-90-31-32-92-34-33-91-30-29-89-26-25-87-22-21-84-4)71-52-39-57(56(85-5)38-51(52)65(82)77(54)40-45)94-18-6-7-59(78)72-58-42-75(3)62(73-58)63(81)70-50-11-8-46(9-12-50)48-37-55(74(2)41-48)66(83)76-17-14-47-36-49(67)10-13-53(47)76/h8-14,17,36-39,41-42,54,64,71H,1,6-7,15-16,18-35,40,43-44,67H2,2-5H3,(H,68,79)(H,69,80)(H,70,81)(H,72,78)/t54-,64-/m0/s1
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| InChIKey |
HXJOOLSFLANVDJ-MEVYNCTOSA-N
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| Pharmaceutical Properties | Molecule Weight |
1322.481 |
Polar area |
330.27 |
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Complexity |
3440.745211 |
xlogp Value |
4.2601 |
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Heavy Count |
95 |
Rot Bonds |
43 |
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Hbond acc |
24 |
Hbond Donor |
6 |
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Each Antibody-drug Conjugate Related to This Payload
Full Information of The Activity Data of The ADC(s) Related to This Payload
WO2019126691A1 Conjugate No.105 [Investigative]
Revealed Based on the Cell Line Data
| Experiment 1 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal inhibitory Concentration (lC50) |
0.02 nM
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Positive HER2 expression (HER2+++/++) | ||
| Method Description |
Calu3 cells were plated at a density of 5000 cells per well and the next day were treated with antibody-PBD conjugate for 3 days.
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| In Vitro Model | Lung adenocarcinoma | Calu3 cells | CVCL_0609 | ||
| Experiment 2 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal inhibitory Concentration (lC50) |
0.04 nM
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Moderate HER2 expression (HER2++) | ||
| Method Description |
JIMT1 cells were plated at a density of 5000 cells per well and the next day were treated with antibody-PBD conjugate for 3 days.
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| In Vitro Model | Breast ductal carcinoma | JIMT1 cells | CVCL_2077 | ||
| Experiment 3 Reporting the Activity Date of This ADC | [1] | ||||
| Efficacy Data | Half Maximal inhibitory Concentration (lC50) |
0.91 nM
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Low HER2 expression (HER2+) | ||
| Method Description |
MCF-7 cells were plated at a density of 5000 cells per well and the next day were treated with antibody-PBD conjugate for 3 days.
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| In Vitro Model | Invasive breast carcinoma | MCF-7 cells | CVCL_0031 | ||